5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H12BrF3N4 — CID 11464647

IUPAC5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2cnn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc23)ccn1
InChIInChI=1S/C19H12BrF3N4/c1-11-8-13(6-7-24-11)15-10-25-27-17(19(21,22)23)9-16(26-18(15)27)12-2-4-14(20)5-3-12/h2-10H,1H3
InChIKeyBWJKTBCQUHWVOA-UHFFFAOYSA-N
MW433.23 g/mol
LogP5.55
Rot. Bonds2

About 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 11464647) has the molecular formula C19H12BrF3N4 and a molecular weight of 433.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID11464647
Molecular FormulaC19H12BrF3N4
Molecular Weight433.23 g/mol
Exact Mass432.02
IUPAC Name5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2cnn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc23)ccn1
InChIInChI=1S/C19H12BrF3N4/c1-11-8-13(6-7-24-11)15-10-25-27-17(19(21,22)23)9-16(26-18(15)27)12-2-4-14(20)5-3-12/h2-10H,1H3
InChIKeyBWJKTBCQUHWVOA-UHFFFAOYSA-N
XLogP5.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.23
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 11464647) is 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(-c2cnn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc23)ccn1.
What is the InChIKey of 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BWJKTBCQUHWVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF3N4/c1-11-8-13(6-7-24-11)15-10-25-27-17(19(21,22)23)9-16(26-18(15)27)12-2-4-14(20)5-3-12/h2-10H,1H3.
What are the key properties of 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 433.23 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(2-methyl-4-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11464647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).